Basic information
- Standard SMILES
Cc1cccc(NC(=O)[C@H]2CCCN(c3cc(-c4ccc(C#N)c(F)c4)nc(N)n3)C2)c1- InChIKey
XEGVBKLJOQEAFQ-SFHVURJKSA-N- Molecular formula
- C24H23FN6O
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.19173754
Names & identifiers
- Preferred name
- (3S)-1-[2-Amino-6-(4-cyano-3-fluorophenyl)-4-pyrimidinyl]-N-(3-methylphenyl)-3-piperidinecarboxamide
- IUPAC
- (3S)-1-[2-amino-6-(4-cyano-3-fluorophenyl)pyrimidin-4-yl]-N-(3-methylphenyl)piperidine-3-carboxamide
Names & synonyms
SCHEMBL1316877XEGVBKLJOQEAFQ-SFHVURJKSA-N(3S)-1-[2-Amino-6-(4-cyano-3-fluorophenyl)-4-pyrimidinyl]-N-(3-methylphenyl)-3-piperidinecarboxamide
Database identifiers
- PubChem CID
- 58504635
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 697
Related reactions
2 records
Compound notes
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